2-(5-nitrothiophen-3-yl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(5-nitrothiophen-3-yl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(5-nitro-3-thienyl)ethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(5-nitro-3-thiophenyl)ethyl ester IUPAC Name: 2-(5-nitrothiophen-3-yl)ethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(5-nitro-3-thienyl)ethyl ester Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCC2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCC2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S2/c1-7-9(5-13-12(20)14-7)11(16)19-3-2-8-4-10(15(17)18)21-6-8/h4,6H,2-3,5H2,1H3,(H2,13,14,20)